SCHEMBL23402118

SCHEMBL23402118

CCn1[nH]c(-c2ccccc2)c(-c2ccc(C)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.45
MAT2A P31153 7/20 0.42
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC11A2 P49281 1/20 0.39
RCE1 Q9Y256 1/20 0.38
CYBB P04839 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23401938 1.00 ALKBH3 (0.45) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23399726 0.94 BRD4 (0.38) ALKBH3MAT2AKDM4EALDH1A1CYP1A2
SCHEMBL23398953 0.92 MAT2A (0.46) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23403527 0.89 ALKBH3 (0.44) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23401574 0.89 ALKBH3 (0.44) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23401761 0.87 MAPK14 (0.41) ALKBH3ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL23401128 0.86 KMT2A (0.49) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23401860 0.86 KMT2A (0.49) ALKBH3MAT2AGAAALOX15KDM4E
SCHEMBL23402170 0.86 ALKBH3 (0.44) ALKBH3MAT2AGAAALOX15ALDH1A1
SCHEMBL23398812 0.85 ALKBH3 (0.43) ALKBH3MAT2AGAAALOX15KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed